4-[(5S)-2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]benzoate

Systemtic Name: 4-[(5S)-2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]benzoate Openeye Name: 4-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]benzoate CAS Name: 4-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]benzoate IUPAC Name: 4-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]benzoate Traditional Name: 4-[(5S)-4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]benzoate Formula: C26H22NO3- MolecularWeight: 396.45778

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(=O)[O-])C(=O)C1)C

InChI

InChI=1S/C26H23NO3/c1-26(2)13-19-22-18-6-4-3-5-15(18)11-12-20(22)27-24(23(19)21(28)14-26)16-7-9-17(10-8-16)25(29)30/h3-12,24,27H,13-14H2,1-2H3,(H,29,30)/p-1/t24-/m0/s1